4-Benzyl-5-methyl-2-furoic acid

Base Information

• Chemical Name: 4-Benzyl-5-methyl-2-furoic acid
• CAS No.: 3988-93-0
• Molecular Formula: C13H12 O3
• Molecular Weight: 216.23
• DSSTox Substance ID: DTXSID40590758
• Wikidata: Q82484400
• Mol file: 3988-93-0.mol

Synonyms:4-Benzyl-5-methyl-2-furoic acid;3988-93-0;4-benzyl-5-methylfuran-2-carboxylic acid;DTXSID40590758;DB-316212

Chemical Property of 4-Benzyl-5-methyl-2-furoic acid

Chemical Property:

• Vapor Pressure: 5.86E-06mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 364.7°Cat760mmHg
• Flash Point: 174.4°C
• PSA: 50.44000
• Density: 1.198g/cm³
• LogP: 2.87700
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

4-BENZYL-5-METHYL-2-FUROIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(O1)C(=O)O)CC2=CC=CC=C2

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